SCHEMBL2994962

SCHEMBL2994962

Cc1cccc2c1N(S(=O)(=O)c1ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c1)CCC2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
MEN1 O00255 3/20 0.42
ATM Q13315 1/20 0.41
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 1/20 0.37
ALOX12 P18054 1/20 0.37
LMNA P02545 4/20 0.36
TSHR P16473 1/20 0.36
AKR1C3 P42330 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2997309 0.85 KMT2A (0.59) KMT2AMEN1ATMALDH1A1NPSR1
SCHEMBL2999751 0.85 PKM (0.34) KMT2AMEN1ALDH1A1RAB9AMAPT
SCHEMBL2999885 0.82 KMT2A (0.55) KMT2AMEN1ATMALDH1A1NPSR1
SCHEMBL2996937 0.79 KMT2A (0.47) KMT2AMEN1ATMALDH1A1RAB9A
SCHEMBL2991650 0.78 VCAM1 (0.56) KMT2AMEN1ATMALDH1A1RAB9A
SCHEMBL30858607 0.77 ALOX12 (0.39) KMT2AMEN1ATMALDH1A1RAB9A
SCHEMBL3001616 0.74 NPC1 (0.46) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL2989383 0.74 KMT2A (0.42) KMT2AMEN1ATMALDH1A1L3MBTL1
SCHEMBL2988047 0.71 NR1I2 (0.39) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL3577406 0.69 LMNA (0.44) ALDH1A1RAB9AMAPTNPC1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507536-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2013-08-13 US disclosed
US-20130040975-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2013-02-14 US disclosed
US-8263588-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2012-09-11 US disclosed
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2010-07-22 US disclosed
WO-2008124614-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2008-10-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130040975-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR KMT2A 1562/4885MEN1 592/4885ATM 4668/4885
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR KMT2A 1562/4885MEN1 592/4885ATM 4668/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.